N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide

C13H27N3O2S — CID 55169437

IUPACN-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide
SMILESCN(CCN1CCNCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H27N3O2S/c1-15(11-12-16-9-7-14-8-10-16)19(17,18)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyNKAGSOJEEUZPNP-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.49
Rot. Bonds5

About N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide

N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide (PubChem CID 55169437) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide
PubChem CID55169437
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide
SMILESCN(CCN1CCNCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H27N3O2S/c1-15(11-12-16-9-7-14-8-10-16)19(17,18)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyNKAGSOJEEUZPNP-UHFFFAOYSA-N
XLogP0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide (CID 55169437) is N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide is CN(CCN1CCNCC1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide?
The InChIKey is NKAGSOJEEUZPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-15(11-12-16-9-7-14-8-10-16)19(17,18)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide?
N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)cyclohexanesulfonamide is sourced from PubChem (CID 55169437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).